SCHEMBL3452373

SCHEMBL3452373

CC(C)(C)OC(=O)[C@@H]1C[C@H]1c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
SLC9A1 P19634 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
USP30 Q70CQ3 1/20 0.36
LIPG Q9Y5X9 2/20 0.35
LPL P06858 1/20 0.35
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 3/20 0.33
ROCK1 Q13464 1/20 0.33
DGAT1 O75907 1/20 0.32
ATM Q13315 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3452376 1.00 PRMT5 (0.37) PRMT5WDR77BACE1BACE2SLC9A1
SCHEMBL13310395 1.00 PRMT5 (0.37) PRMT5WDR77BACE1BACE2SLC9A1
SCHEMBL30685342 0.84 LIPG (0.40) SLC9A1LIPGLPLROCK1
SCHEMBL22280755 0.84 LIPG (0.40) SLC9A1LIPGLPLROCK1
SCHEMBL26363672 0.84 LIPG (0.40) SLC9A1LIPGLPLROCK1
SCHEMBL22273384 0.84 LIPG (0.40) SLC9A1LIPGLPLROCK1
SCHEMBL3448559 0.83 USP30 (0.37) PRMT5WDR77BACE1BACE2AAK1
SCHEMBL3448562 0.83 USP30 (0.37) PRMT5WDR77BACE1BACE2AAK1
SCHEMBL13310393 0.83 USP30 (0.37) PRMT5WDR77BACE1BACE2AAK1
SCHEMBL22264948 0.83 FFAR1 (0.41) SLC9A1LIPGLPLSMN1; SMN2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD PRMT5 3689/4885WDR77 4376/4885BACE1 2215/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.